Lundie, M, Šljivančanin, Z and Tomic, S 2015, 'Electronic and optical properties of reduced graphene oxide' , J. Mater. Chem. C, 3 (29) , pp. 7632-7641.
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Controlled reduction of graphene oxide is an alternative and promising method to tune the electronic and optically active energy gap of this two-dimensional material in the energy range of the visible light spectrum. By means of ab initio calculations, based on hybrid density functional theory, that combine the Hartree–Fock method with the generalized gradient approximation (GGA), we investigated the electronic, optical, and radiative recombination properties of partially reduced graphene oxide, modelled as small islands of pristine graphene formed in an infinite sheet of graphene oxide. We predict that tuning of optically active gaps, in the wide range from B6.5 eV to B0.25 eV, followed by the electron radiative transition times in the range from ns to ms, can be effected by controlling the level of oxidization.
|Schools:||Schools > School of Computing, Science and Engineering|
|Journal or Publication Title:||J. Mater. Chem. C|
|Publisher:||Royal Society of Chemistry|
|Funders:||Royal Society, London, EU-COST Action MP1406, The Great Britain Sasakawa Foundation, EU-COST Action CM1104|
|Depositing User:||Prof Stanko Tomic|
|Date Deposited:||08 Dec 2015 13:07|
|Last Modified:||08 Dec 2015 13:07|
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